1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride

C24H48ClN3O2 — CID 11503227

IUPAC1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCCCCCCCCCCCCNC(=O)C1CCN(CCNC=O)CC1.Cl
InChIInChI=1S/C24H47N3O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-24(29)23-15-19-27(20-16-23)21-18-25-22-28;/h22-23H,2-21H2,1H3,(H,25,28)(H,26,29);1H
InChIKeyYOOHZUDLAQSBBY-UHFFFAOYSA-N
MW446.12 g/mol
LogP5.07
Rot. Bonds19

About 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride

1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride (PubChem CID 11503227) has the molecular formula C24H48ClN3O2 and a molecular weight of 446.12 g/mol. Its IUPAC name is 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride
PubChem CID11503227
Molecular FormulaC24H48ClN3O2
Molecular Weight446.12 g/mol
Exact Mass445.34
IUPAC Name1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCCCCCCCCCCCCNC(=O)C1CCN(CCNC=O)CC1.Cl
InChIInChI=1S/C24H47N3O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-24(29)23-15-19-27(20-16-23)21-18-25-22-28;/h22-23H,2-21H2,1H3,(H,25,28)(H,26,29);1H
InChIKeyYOOHZUDLAQSBBY-UHFFFAOYSA-N
XLogP5.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.12
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-{2-[4-(2-ethylbutanoyl)-1-piperazinyl]ethyl}butanamide
CID 832075
N-pentadecylpiperidine-4-carboxamide;hydrochloride
CID 11660783
N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide dihydrochloride
CID 42933699
1-(2-aminoethyl)-N-pentadecylpiperidine-4-carboxamide;dihydrochloride
CID 11662463
N-[2-[4-[(pentadecylamino)methyl]piperidin-1-yl]ethyl]formamide
CID 44592952
1-butanoyl-N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 53501182
N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 16769085
5-{[1-(3-Methylbutanoyl)-4-piperidyl]carbonyl}-1,5-diazacycloundecan-2-one
CID 110201673
1-(2-aminoacetyl)-N-methylpiperidine-4-carboxamide
CID 43579507
1-(2-Formylamino-ethyl)-piperidine-4-carboxylic acid pentadecylamide; hydrochloride
CID 11503228
Piperidine-4-carboxylic acid pentadecylamide; hydrochloride
CID 11660784
1-(2-Amino-ethyl)-piperidine-4-carboxylic acid pentadecylamide; dihydrochloride
CID 11662464

Frequently Asked Questions

What is the IUPAC name of 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride (CID 11503227) is 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride is CCCCCCCCCCCCCCCNC(=O)C1CCN(CCNC=O)CC1.Cl.
What is the InChIKey of 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is YOOHZUDLAQSBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47N3O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-26-24(29)23-15-19-27(20-16-23)21-18-25-22-28;/h22-23H,2-21H2,1H3,(H,25,28)(H,26,29);1H.
What are the key properties of 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride?
1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 446.12 g/mol, XLogP of 5.07, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-formamidoethyl)-N-pentadecylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 11503227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).